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- W2022291311 abstract "This work reports a new protocol for achieving microscopic structural information from theoretical (quantum-chemical (QC) and molecular dynamic (MD) calculations) and experimental methods (X-ray diffraction). The Lennard–Jones (L–J) parameters of the force field (FF) fit satisfactorily the X-ray diffraction results of the liquid samples. The study has been carried out on SOCl2 and SO2Cl2 molecular liquids." @default.
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- W2022291311 date "2001-03-01" @default.
- W2022291311 modified "2023-09-26" @default.
- W2022291311 title "SO2Cl2, SOCl2: energy dispersive X-ray diffraction, ab initio and molecular dynamics calculation" @default.
- W2022291311 cites W2090442823 @default.
- W2022291311 doi "https://doi.org/10.1016/s0927-0256(00)00200-7" @default.
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